Computational Approaches for Drug Delivery of Nanoparticles

Sharma, U; Khambete, H; Singh, N; Jain, S; Jain, N; Dua, K

Computational Approaches for Drug Delivery of Nanoparticles

Sharma, U Khambete, H Singh, N Jain, S Jain, N Dua, K

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Publisher:: Wiley
Publication Type:: Chapter
Citation:: Drug Delivery Systems Using Quantum Computing, 2024, pp. 247-282
Issue Date:: 2024-01-01

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Field	Value	Language
dc.contributor.author	Sharma, U
dc.contributor.author	Khambete, H
dc.contributor.author	Singh, N
dc.contributor.author	Jain, S
dc.contributor.author	Jain, N
dc.contributor.author	Dua, K https://orcid.org/0000-0002-7507-1159
dc.date.accessioned	2024-11-18T01:03:01Z
dc.date.available	2024-11-18T01:03:01Z
dc.date.issued	2024-01-01
dc.identifier.citation	Drug Delivery Systems Using Quantum Computing, 2024, pp. 247-282
dc.identifier.isbn	9781394159147
dc.identifier.uri	http://hdl.handle.net/10453/181940
dc.description.abstract	Nanoparticulate drug delivery is a novel and rapidly emerging concept for targeted delivery of bioactive to the predefined site in a controlled way and diagnosis and treatment of various diseases. Despite numerous advantages, drug delivery through nanocarrier-mediated systems is complex and expensive due to their smaller size. To resolve all these complications, computational modeling is being incorporated into designing the new drug delivery systems and understanding the problems of existing nanoparticles. Computer simulation optimizes the designing of drug carrier systems, hence allowing the prediction of drug delivery efficiency to specific targets. Simulations not only can screen the lead compound and carrier substance but also can provide deep insights into features of fabricated nanoparticles, thus allowing the formation of better and more effective nanoparticles suitable for patients. In the drug delivery process, computational modeling is also envisioned to provide solutions to problems regarding surface chemistry, target properties, carrier specifications, formulation approach, etc. The commonly used computational approaches for targeting nanoparticles are the continuum approach, stochastical modeling, etc. These approaches provide knowledge about drug transport, dissolution process, cell interaction, and much other crucial information that can be acquired using them. The present chapter summarizes the background of drug delivery, concepts of nanoparticles, and approaches involved in the computational modeling of nanoparticulate drug delivery systems.
dc.language	en
dc.publisher	Wiley
dc.relation.ispartof	Drug Delivery Systems Using Quantum Computing
dc.relation.isbasedon	10.1002/9781394159338.ch9
dc.rights	info:eu-repo/semantics/closedAccess
dc.title	Computational Approaches for Drug Delivery of Nanoparticles
dc.type	Chapter
pubs.organisational-group	University of Technology Sydney
pubs.organisational-group	University of Technology Sydney/Faculty of Health
pubs.organisational-group	University of Technology Sydney/UTS Groups
pubs.organisational-group	University of Technology Sydney/UTS Groups/Centre for Inflammation (CFI)
pubs.organisational-group	University of Technology Sydney/UTS Groups/Centre for Inflammation (CFI)/Associate Member
pubs.organisational-group	University of Technology Sydney/UTS Groups/Australian Research Consortium in Complementary and Integrative Medicine (ARCCIM)
utslib.copyright.status	closed_access	*
dc.date.updated	2024-11-18T01:03:00Z
pubs.publication-status	Published

Abstract:

Nanoparticulate drug delivery is a novel and rapidly emerging concept for targeted delivery of bioactive to the predefined site in a controlled way and diagnosis and treatment of various diseases. Despite numerous advantages, drug delivery through nanocarrier-mediated systems is complex and expensive due to their smaller size. To resolve all these complications, computational modeling is being incorporated into designing the new drug delivery systems and understanding the problems of existing nanoparticles. Computer simulation optimizes the designing of drug carrier systems, hence allowing the prediction of drug delivery efficiency to specific targets. Simulations not only can screen the lead compound and carrier substance but also can provide deep insights into features of fabricated nanoparticles, thus allowing the formation of better and more effective nanoparticles suitable for patients. In the drug delivery process, computational modeling is also envisioned to provide solutions to problems regarding surface chemistry, target properties, carrier specifications, formulation approach, etc. The commonly used computational approaches for targeting nanoparticles are the continuum approach, stochastical modeling, etc. These approaches provide knowledge about drug transport, dissolution process, cell interaction, and much other crucial information that can be acquired using them. The present chapter summarizes the background of drug delivery, concepts of nanoparticles, and approaches involved in the computational modeling of nanoparticulate drug delivery systems.

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http://hdl.handle.net/10453/181940